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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:04:08 UTC
Update Date2025-03-21 23:06:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00637066
Frequency2.5
Structure
Chemical FormulaC7H10O2
Molecular Mass126.0681
SMILESC=C(C)C(C=O)C(C)=O
InChI KeyLELQEOARTJFUCV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta ketoaldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • hydrocarbon derivatives
  • ketones
  • organic oxides
    • Substituents
  • ketone
  • aliphatic acyclic compound
  • organic oxide
  • beta-ketoaldehyde
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound